3-(phenylmethyl)-4-(4-propylthiophen-2-yl)sulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 3-(phenylmethyl)-4-(4-propylthiophen-2-yl)sulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-[(4-propyl-2-thienyl)sulfonyl]-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile CAS Name: 3-(phenylmethyl)-4-[(4-propyl-2-thiophenyl)sulfonyl]-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-(4-propylthiophen-2-yl)sulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-[(4-propyl-2-thienyl)sulfonyl]-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Formula: C24H25N3O2S2 MolecularWeight: 451.6042

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CSC(=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)NCC2CC4=CC=CC=C4

Isomeric SMILES

CCCC1=CSC(=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)NCC2CC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O2S2/c1-2-6-20-13-24(30-17-20)31(28,29)27-16-21-11-19(14-25)9-10-23(21)26-15-22(27)12-18-7-4-3-5-8-18/h3-5,7-11,13,17,22,26H,2,6,12,15-16H2,1H3